Pentanenitrile, 4,4-dimethyl-3-oxo- (HCID 108871)

이름 및 식별자

우선 이름: Pentanenitrile, 4,4-dimethyl-3-oxo-
IUPAC: 4,4-dimethyl-3-oxopentanenitrile
영어명: Pivaloylacetonitrile
분자식: C7H11NO
분자량: 125.17

이름 및 동의어

Pivaloylacetonitrile4,4-Dimethyl-3-oxopentanenitrile59997-51-24,4-Dimethyl-3-oxovaleronitrilePentanenitrile, 4,4-dimethyl-3-oxo-EINECS 262-017-1Valeronitrile, 4,4-dimethyl-3-oxo-DTXSID6069375RefChem:859944DTXCID1042736262-017-1Trimethylacetylacetonitrile

이름 더 보기

PivaloylnitrileTIMTEC-BB SBB008437Pivaloylacetonitrile>Pivaloylacetonitrile,97%Pivaloylacetonitrile 97%

4,4-Dimethyl-3-oxo-pentanenitrileMFCD00010208Pyvaolylacetonitrilecyanopinacolone1-CYANOPINACOLONEMPF9VR4X5R4,4-Dimethyl-3-oxopentanenitrile;4,4-Dimethyl-3-oxopentanenitrile1-cyano-3,3-dimethyl-2-butanone

데이터베이스 식별자

CAS: 59997-51-2
PubChem CID: 108871
DTXSID: DTXSID6069375
UNII: MPF9VR4X5R
EC Number: 262-017-1
Nikkaji: J27.730D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 40.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 66 · 66-69 °C(lit.)
끓는 점: 125 · 125-126 °C22 mm Hg(lit.)
밀도: 1.0459 · 1.0459 (rough estimate)
굴절률: 1.4693 · 1.4693 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 10.25 · 10.25±0.10(Predicted)
물리적 상태: 결정 또는 결정성 분말
색상: 흰색에서 크림색으로
수용성: 물에 불용성.
BRN: 1746674 · 1746674
InChI: InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChIKey: MXZMACXOMZKYHJ-UHFFFAOYSA-N
SMILES: C(#N)CC(=O)C(C)(C)C
NIST: 4 · 4,4-Dimethyl-3-oxopentanenitrile(59997-51-2)
EPA: 4 · Pentanenitrile, 4,4-dimethyl-3-oxo- (59997-51-2)

화학적 성질

white to cream crystals or crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 99 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26358

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SA2991000
ridadr: UN 3439 6.1/PG 3
HS 번호: 29269090
risk_code: 25
hazard_code: T
safety_code: 36/37/39-45
포장분류: III
위험 등급: 6.1
F 고인화성물질: 8

화학 및 산업

용도 및 제조

General Manufacturing InformationPentanenitrile, 4,4-dimethyl-3-oxo-: ACTIVE

응용 분야 · 1건

용도Trimethylacetylacetonitrile is a useful intermediate. 4,4-Dimethyl-3-oxopentanenitrile has been used in the preparation of 4,4-dimethyl-3-oxo-2-benzylpentanenitrile, 4,4-dimethyl-3-oxo-2-(4-hydroxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-methoxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-fluorobenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(3,4-methylenedioxybenzyl)pentanenitrile, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-phenylurea.

상·하류 제품 정보

상류 원료

Isoxazole, 3,5-bis(1,1-dimethylethyl)-N-메톡시-N,2,2-트리메틸프로판아미드 1-브로모-3,3-디메틸-2-부타논 Ethyl trimethylacetate 사이안화 나트륨 메틸 트라이메틸아세테이트 클로로피나콜린 1.4-다이옥세인 아세토나이트릴 피나콜린

하류 제품

3-TERT-부틸리속사졸-5-아민 5-아미노-3-tert-부틸-1-메틸피라졸

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海毕合生物化学技术有限公司13816464724 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

연결된 노트

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Pentanenitrile, 4,4-dimethyl-3-oxo-

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